smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO[P@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1 ZINC000017120952 556219249 /nfs/dbraw/zinc/21/92/49/556219249.db2.gz RMYYPCIAJWYVHZ-LSCFUAHRSA-N -1 2 499.398 0.755 10 5 in-vitro JCBELM O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO[P@@](=O)([O-])O)[C@@H](O)[C@H]2O)cc1 ZINC000017120952 556219246 /nfs/dbraw/zinc/21/92/46/556219246.db2.gz RMYYPCIAJWYVHZ-LSCFUAHRSA-N -1 2 499.398 0.755 10 5 in-vitro JCBELM